N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide

C15H22N2O6S2 — CID 124655786

IUPACN-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide
SMILESCOCCN[C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H22N2O6S2/c1-11(18)17-12-3-5-13(6-4-12)25(21,22)15-10-24(19,20)9-14(15)16-7-8-23-2/h3-6,14-16H,7-10H2,1-2H3,(H,17,18)/t14-,15-/m1/s1
InChIKeyAXHMZQFJHDAMAM-HUUCEWRRSA-N
MW390.48 g/mol
LogP-0.18
Rot. Bonds7

About N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide

N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide (PubChem CID 124655786) has the molecular formula C15H22N2O6S2 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide
PubChem CID124655786
Molecular FormulaC15H22N2O6S2
Molecular Weight390.48 g/mol
Exact Mass390.09
IUPAC NameN-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide
SMILESCOCCN[C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H22N2O6S2/c1-11(18)17-12-3-5-13(6-4-12)25(21,22)15-10-24(19,20)9-14(15)16-7-8-23-2/h3-6,14-16H,7-10H2,1-2H3,(H,17,18)/t14-,15-/m1/s1
InChIKeyAXHMZQFJHDAMAM-HUUCEWRRSA-N
XLogP-0.18
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3R,4S)-4-(3-ethoxypropylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide
CID 21006327
4-(4-ethylphenyl)sulfonyl-N-(2-methoxyethyl)-1,1-dioxothiolan-3-amine
CID 22695486
N-[4-[(3R,4S)-4-[(4-methylphenyl)methylamino]-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide
CID 20898139
N-[4-[(3R,4S)-1,1-dioxo-4-(pyridin-4-ylmethylamino)thiolan-3-yl]sulfonylphenyl]acetamide
CID 20898146
methyl 2-[[(3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxothiolan-3-yl]amino]acetate
CID 21006025
(3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxo-N-propylthiolan-3-amine
CID 20897793
4-(4-ethylphenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 45370334
(3R,4S)-4-(4-chlorophenyl)sulfonyl-1,1-dioxo-N-propylthiolan-3-amine
CID 124655517
(3S,4R)-4-(4-methoxyphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine
CID 20897937
(3R,4S)-4-(4-chlorophenyl)sulfonyl-1,1-dioxo-N-(3-propan-2-yloxypropyl)thiolan-3-amine
CID 124655638
(3S,4S)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-ol
CID 6347761
N-[(3R,4S)-4-(4-ethylphenyl)sulfonyl-1,1-dioxothiolan-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 96564929

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide (CID 124655786) is N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide is COCCN[C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide?
The InChIKey is AXHMZQFJHDAMAM-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H22N2O6S2/c1-11(18)17-12-3-5-13(6-4-12)25(21,22)15-10-24(19,20)9-14(15)16-7-8-23-2/h3-6,14-16H,7-10H2,1-2H3,(H,17,18)/t14-,15-/m1/s1.
What are the key properties of N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide?
N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide has a molecular weight of 390.48 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,4R)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 124655786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).